2-(1,1-dioxo-1,4-thiazinan-4-yl)acetic acid

C6H11NO4S — CID 2806236

IUPAC2-(1,1-dioxo-1,4-thiazinan-4-yl)acetic acid
SMILESO=C(O)CN1CCS(=O)(=O)CC1
InChIInChI=1S/C6H11NO4S/c8-6(9)5-7-1-3-12(10,11)4-2-7/h1-5H2,(H,8,9)
InChIKeyCEABBIBOUBCOPV-UHFFFAOYSA-N
MW193.22 g/mol
LogP-1.20
Rot. Bonds2

About 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetic acid

2-(1,1-dioxo-1,4-thiazinan-4-yl)acetic acid (PubChem CID 2806236) has the molecular formula C6H11NO4S and a molecular weight of 193.22 g/mol. Its IUPAC name is 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetic acid.

Molecular Properties

Compound Name2-(1,1-dioxo-1,4-thiazinan-4-yl)acetic acid
PubChem CID2806236
Molecular FormulaC6H11NO4S
Molecular Weight193.22 g/mol
Exact Mass193.04
IUPAC Name2-(1,1-dioxo-1,4-thiazinan-4-yl)acetic acid
SMILESO=C(O)CN1CCS(=O)(=O)CC1
InChIInChI=1S/C6H11NO4S/c8-6(9)5-7-1-3-12(10,11)4-2-7/h1-5H2,(H,8,9)
InChIKeyCEABBIBOUBCOPV-UHFFFAOYSA-N
XLogP-1.20
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.22
LogP ≤ 5-1.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetic acid?
The IUPAC name of 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetic acid (CID 2806236) is 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetic acid.
What is the SMILES notation for 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetic acid?
The canonical SMILES for 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetic acid is O=C(O)CN1CCS(=O)(=O)CC1.
What is the InChIKey of 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetic acid?
The InChIKey is CEABBIBOUBCOPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO4S/c8-6(9)5-7-1-3-12(10,11)4-2-7/h1-5H2,(H,8,9).
What are the key properties of 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetic acid?
2-(1,1-dioxo-1,4-thiazinan-4-yl)acetic acid has a molecular weight of 193.22 g/mol, XLogP of -1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetic acid is sourced from PubChem (CID 2806236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).